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Alanylalanine, N,N'-dimethyl-N'-butoxycarbonyl-, octyl ester

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Alanylalanine, N,N'-dimethyl-N'-butoxycarbonyl-, octyl ester
SpectraBase Compound ID CTU05GZ0nPD
InChI InChI=1S/C21H40N2O5/c1-7-9-11-12-13-14-16-27-20(25)18(4)22(5)19(24)17(3)23(6)21(26)28-15-10-8-2/h17-18H,7-16H2,1-6H3
InChIKey IVOQJDUXIPXMHT-UHFFFAOYSA-N
Mol Weight 400.6 g/mol
Molecular Formula C21H40N2O5
Exact Mass 400.293722 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hu0EDQk5qKA
Name Alanylalanine, N,N'-dimethyl-N'-butoxycarbonyl-, octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 400.293722391 u
Formula C21H40N2O5
InChI InChI=1S/C21H40N2O5/c1-7-9-11-12-13-14-16-27-20(25)18(4)22(5)19(24)17(3)23(6)21(26)28-15-10-8-2/h17-18H,7-16H2,1-6H3
InChIKey IVOQJDUXIPXMHT-UHFFFAOYSA-N
Molecular Weight 400.560 g/mol
SMILES CCCCOC(N(C(C(N(C(C(OCCCCCCCC)=O)C)C)=O)C)C)=O